4-Methyl-1-pentene
Properties
- Molecular formula
- C6H12
- Molar mass
- 84.16 g/mol
- Exact mass
- 84.0939 Da
- Density
- 0.6718 g/mL (at 20 °C)
- Melting point
- −153.6 °C
- Boiling point
- 53.9 °C
- Flash point
- -31.7 °C
- logP
- 2.22Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 2
Hazards
Danger
- H224 Extremely flammable liquid and vapor18% of notifiers
- H225 Highly Flammable liquid and vapor77.9% of notifiers
- H302 Harmful if swallowed18% of notifiers
- H304 May be fatal if swallowed and enters airways41.8% of notifiers
- H315 Causes skin irritation49.2% of notifiers
- H319 Causes serious eye irritation49.2% of notifiers
- H332 Harmful if inhaled18% of notifiers
- H335 May cause respiratory irritation49.2% of notifiers
Aggregated from 122 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P331, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
691-37-2SMILES
C=CCC(C)CInChIKey
WSSSPWUEQFSQQG-UHFFFAOYSA-NInChI
InChI=1S/C6H12/c1-4-5-6(2)3/h4,6H,1,5H2,2-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- 1-Pentene, 4-methyl-
- Isobutylethene
- 4-Methylpentene-1
- NSC 15091
- 4-Methyl-1-amylene
Work with 4-Methyl-1-pentene
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
5-Methyl-1-hexene3524-73-052 % similar
4-Penten-2-ol625-31-050 % similar
Isooctene11071-47-948 % similar
4-Methyl-1-hexene3769-23-148 % similar
1,6-Heptadien-4-ol2883-45-643 % similar
Isovaleraldehyde590-86-343 % similar
2-Methyl-4-pentenoic acid1575-74-239 % similar
Allylcyclohexane2114-42-339 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.